2-methylpropyl 5-methyl-4-oxidanylidene-3-[1-oxidanylidene-1-(3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-3-[1-oxidanylidene-1-(3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-3-[1-methyl-2-oxo-2-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(3-keto-4-propyl-1,4-benzoxazin-6-yl)-1-methyl-ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)OCC(C)C)C

Isomeric SMILES

CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)OCC(C)C)C

InChI

InChI=1S/C26H29N3O6S/c1-6-9-28-18-10-17(7-8-19(18)34-12-20(28)30)22(31)16(5)29-13-27-24-21(25(29)32)15(4)23(36-24)26(33)35-11-14(2)3/h7-8,10,13-14,16H,6,9,11-12H2,1-5H3